4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide

C9H10N4S2 — CID 18537429

IUPAC4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2csc(N)n2)c(C)s1
InChIInChI=1S/C9H10N4S2/c1-4-5(2-7(15-4)8(10)11)6-3-14-9(12)13-6/h2-3H,1H3,(H3,10,11)(H2,12,13)
InChIKeyLANPFQZJWAIVOQ-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.05
Rot. Bonds2

About 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide

4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide (PubChem CID 18537429) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide
PubChem CID18537429
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2csc(N)n2)c(C)s1
InChIInChI=1S/C9H10N4S2/c1-4-5(2-7(15-4)8(10)11)6-3-14-9(12)13-6/h2-3H,1H3,(H3,10,11)(H2,12,13)
InChIKeyLANPFQZJWAIVOQ-UHFFFAOYSA-N
XLogP2.05
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide (CID 18537429) is 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2csc(N)n2)c(C)s1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide?
The InChIKey is LANPFQZJWAIVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-4-5(2-7(15-4)8(10)11)6-3-14-9(12)13-6/h2-3H,1H3,(H3,10,11)(H2,12,13).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide?
4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide has a molecular weight of 238.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)-5-methylthiophene-2-carboximidamide is sourced from PubChem (CID 18537429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).